CID 304079

4-chloro-1-(pyrrolidin-1-yl)butan-1-one

Structural Information

Molecular Formula
C8H14ClNO
SMILES
C1CCN(C1)C(=O)CCCCl
InChI
InChI=1S/C8H14ClNO/c9-5-3-4-8(11)10-6-1-2-7-10/h1-7H2
InChIKey
OWZIEPLJGKVJOC-UHFFFAOYSA-N
Compound name
4-chloro-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

175.07639 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 139.8
[M+Na]+ 198.065608 146.2
[M-H]- 174.069114 141.0
[M+NH4]+ 193.110213 160.9
[M+K]+ 214.039548 143.5
[M+H-H2O]+ 158.073650 134.0
[M+HCOO]- 220.074591 155.8
[M+CH3COO]- 234.090241 177.0
[M+Na-2H]- 196.051056 142.2
[M]+ 175.07584142 139.3
[M]- 175.07693858 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe